4-(1,2-dimethoxy-2-phenylethenyl)phenol

C16H16O3 — CID 91321560

IUPAC4-(1,2-dimethoxy-2-phenylethenyl)phenol
SMILESCOC(=C(OC)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H16O3/c1-18-15(12-6-4-3-5-7-12)16(19-2)13-8-10-14(17)11-9-13/h3-11,17H,1-2H3
InChIKeyVPTOCFUPVMNZOV-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.51
Rot. Bonds4

About 4-(1,2-dimethoxy-2-phenylethenyl)phenol

4-(1,2-dimethoxy-2-phenylethenyl)phenol (PubChem CID 91321560) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(1,2-dimethoxy-2-phenylethenyl)phenol.

Molecular Properties

Compound Name4-(1,2-dimethoxy-2-phenylethenyl)phenol
PubChem CID91321560
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4-(1,2-dimethoxy-2-phenylethenyl)phenol
SMILESCOC(=C(OC)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H16O3/c1-18-15(12-6-4-3-5-7-12)16(19-2)13-8-10-14(17)11-9-13/h3-11,17H,1-2H3
InChIKeyVPTOCFUPVMNZOV-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methoxymethane;phenol
CID 18763564
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
methyl hydrogen carbonate;phenol
CID 126664263
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
CID 101099005
3-methoxy-2,3-diphenylprop-2-enal
CID 76537180
CID 67496590
CID 67496590
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050
(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
CID 102130770
benzaldehyde;methyl 4-hydroxybenzoate
CID 174817646

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethoxy-2-phenylethenyl)phenol?
The IUPAC name of 4-(1,2-dimethoxy-2-phenylethenyl)phenol (CID 91321560) is 4-(1,2-dimethoxy-2-phenylethenyl)phenol.
What is the SMILES notation for 4-(1,2-dimethoxy-2-phenylethenyl)phenol?
The canonical SMILES for 4-(1,2-dimethoxy-2-phenylethenyl)phenol is COC(=C(OC)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-(1,2-dimethoxy-2-phenylethenyl)phenol?
The InChIKey is VPTOCFUPVMNZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15(12-6-4-3-5-7-12)16(19-2)13-8-10-14(17)11-9-13/h3-11,17H,1-2H3.
What are the key properties of 4-(1,2-dimethoxy-2-phenylethenyl)phenol?
4-(1,2-dimethoxy-2-phenylethenyl)phenol has a molecular weight of 256.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethoxy-2-phenylethenyl)phenol is sourced from PubChem (CID 91321560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).